4-nitro-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide

Systemtic Name: 4-nitro-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-4-nitro-benzamide Formula: C18H17N5O5S MolecularWeight: 415.42308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S/c24-15(19-13-4-2-1-3-5-13)10-11-16(25)21-22-18(29)20-17(26)12-6-8-14(9-7-12)23(27)28/h1-9H,10-11H2,(H,19,24)(H,21,25)(H2,20,22,26,29)